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Solar-driven water electrolysis requires high-performance photoelectrodes that exhibit excellent photoabsorption, superior charge transport, and optimized thermal management. In this work, we conducted a first-principles investigation to…
The Shockley-Queisser limit describes the maximum solar energy conversion efficiency achievable for a particular material and is the standard by which new photovoltaic technologies are compared. This limit is based on the principle of…
Following the recent success of monolithically integrated Perovskite/Si tandem solar cells, great interest has been raised in searching for alternative wide bandgap top-cell materials with prospects of a fully earth-abundant, stable and…
We present a highly efficient workflow for designing semiconductor structures with specific physical properties, which can be utilized for a range of applications, including photocatalytic water splitting. Our algorithm generates candidate…
Two-dimensional (2D) materials have emerged as promising candidates as photocatalytic materials due to their large surface areas and tunable electronic properties. In this work, we systematically design and screen a series of…
Group IV and V monolayers are the promising state-of-the-art 2D materials owing to their high carrier mobility, tunable bandgaps, and optical linear dichroism along with outstanding electronic and thermoelectric properties. Furthermore,…
Nanophotonic devices with moir\'e superlattice is currently attracting broad interest due to the unique periodicity and high efficiency control of photons. Till now, experimental investigations mainly focus on the single layer device, i.e.,…
Owing to the versatility in their chemical and physical properties, transition metal perovskite oxides have emerged as a new category of highly efficient photocatalysts for photoelectrochemical water splitting. Here, to understand the…
Harvesting waste heat with temperatures lower than 100 oC can improve system efficiency and reduce greenhouse gas emissions, yet it has been a longstanding and challenging task. Electrochemical methods for harvesting low-grade heat have…
Although spectrally selective materials play a key role in existing and emerging solar thermal technologies, temperature-related degradation currently limits their use to below 700C in vacuum, and even lower temperatures in air. Here we…
Semiconducting transition metal dichalcogenides (TMDs) are desired as active materials in optoelectronic devices due to their strong excitonic effects. They can be exfoliated from their parent layered materials with low-cost and for mass…
Substitutional doping with transition metals is carried out in the Lepidocrocite phase - the stable monolayer geometry of TiO$_2$, using density functional theory (DFT) methods. The doping is carried out at the differently coordinated O…
Bismuth vanadate (BiVO4) has emerged as a highly prospective material for photoanodes in photoelectrochemical (PEC) water oxidation. However, current limitations with this material lie in the difficulties in producing stable and continuous…
Titanium dioxide (TiO$_2$) thin films are commonly used as photocatalytic materials. Here, we enhance the photocatalytic activity of devices based on TiO$_2$ by combining nanostructured glass substrates with metallic plasmonic…
Semiconductor photocatalysis offers a sustainable route for converting solar energy into chemical energy, enabling the production of clean fuels and valuable chemical products. To this aim, we explore van der Waals heterostructures made up…
Photocatalytic water splitting is a promising strategy for large-scale clean energy production. However, efficient and low-cost solid-state photocatalysts are still lacking. We present here first-principles calculations to investigate the…
Photocatalytic water splitting is an effective way to obtain renewable clean energy. The challenge is to design tunable photocatalyst to meet the needs in different environments. At the same time, the oxygen and hydrogen evolution reactions…
In this paper we present and experimentally validate a low-cost design of a spectral splitting concentrator for the efficient conversion of solar energy. The optical device consists of a dispersive prismatic lens made of polycarbonate…
In this letter, we propose that the narrowband photodetection can be realized in the skin layer of semiconductors with the spatially separated photo-excited carriers from the nanoscale heterolattice electronic transitions (NanoHLETs). The…
Biophotovoltaics has emerged as a promising technology for generating renewable energy since it relies on living organisms as inexpensive, self-repairing and readily available catalysts to produce electricity from an abundant resource -…